2-[3-[4-[[2-fluoro-3-(trifluoromethyl)phenyl]methoxy]phenyl]oxetan-3-yl]acetic acid

C19H16F4O4 — CID 71715893

IUPAC2-[3-[4-[[2-fluoro-3-(trifluoromethyl)phenyl]methoxy]phenyl]oxetan-3-yl]acetic acid
SMILESO=C(O)CC1(c2ccc(OCc3cccc(C(F)(F)F)c3F)cc2)COC1
InChIInChI=1S/C19H16F4O4/c20-17-12(2-1-3-15(17)19(21,22)23)9-27-14-6-4-13(5-7-14)18(8-16(24)25)10-26-11-18/h1-7H,8-11H2,(H,24,25)
InChIKeyHNOKMOGUFIEMHN-UHFFFAOYSA-N
MW384.33 g/mol
LogP4.17
Rot. Bonds6

About 2-[3-[4-[[2-fluoro-3-(trifluoromethyl)phenyl]methoxy]phenyl]oxetan-3-yl]acetic acid

2-[3-[4-[[2-fluoro-3-(trifluoromethyl)phenyl]methoxy]phenyl]oxetan-3-yl]acetic acid (PubChem CID 71715893) has the molecular formula C19H16F4O4 and a molecular weight of 384.33 g/mol. Its IUPAC name is 2-[3-[4-[[2-fluoro-3-(trifluoromethyl)phenyl]methoxy]phenyl]oxetan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[4-[[2-fluoro-3-(trifluoromethyl)phenyl]methoxy]phenyl]oxetan-3-yl]acetic acid
PubChem CID71715893
Molecular FormulaC19H16F4O4
Molecular Weight384.33 g/mol
Exact Mass384.10
IUPAC Name2-[3-[4-[[2-fluoro-3-(trifluoromethyl)phenyl]methoxy]phenyl]oxetan-3-yl]acetic acid
SMILESO=C(O)CC1(c2ccc(OCc3cccc(C(F)(F)F)c3F)cc2)COC1
InChIInChI=1S/C19H16F4O4/c20-17-12(2-1-3-15(17)19(21,22)23)9-27-14-6-4-13(5-7-14)18(8-16(24)25)10-26-11-18/h1-7H,8-11H2,(H,24,25)
InChIKeyHNOKMOGUFIEMHN-UHFFFAOYSA-N
XLogP4.17
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.33
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[4-[[3-fluoro-5-(trifluoromethoxy)phenyl]methoxy]phenyl]oxetan-3-yl]acetic acid
CID 71715836
ethyl 2-[3-[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]phenyl]oxetan-3-yl]acetate
CID 71715835
[2-fluoro-3-(trifluoromethyl)phenyl]methyl (4-nitrophenyl) carbonate
CID 70101379
2-[3-[4-[[4-[2-methoxyimino-2-(3-methoxyphenyl)ethoxy]phenyl]methoxy]phenyl]oxetan-3-yl]acetic acid
CID 144798742
2-[3-[4-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]oxetan-3-yl]acetic acid
CID 71696726
2-[3-[4-[[3-[2-chloro-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]oxetan-3-yl]acetic acid
CID 71715271
4-[2-fluoro-3-(trifluoromethyl)phenyl]butanoic acid
CID 117378294
ethyl 2-[3-[4-[[3-fluoro-5-(trifluoromethoxy)phenyl]methoxy]phenyl]oxetan-3-yl]acetate
CID 71715892
3-[4-[[2-chloro-3-(trifluoromethyl)phenyl]methoxy]phenyl]-3-ethoxypropanoic acid
CID 67058088
2-[3-(4-ethylsulfanylphenyl)oxetan-3-yl]acetic acid
CID 116871876
tert-butyl-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]carbamic acid
CID 67461831
[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl] carbamate
CID 175149197

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[[2-fluoro-3-(trifluoromethyl)phenyl]methoxy]phenyl]oxetan-3-yl]acetic acid?
The IUPAC name of 2-[3-[4-[[2-fluoro-3-(trifluoromethyl)phenyl]methoxy]phenyl]oxetan-3-yl]acetic acid (CID 71715893) is 2-[3-[4-[[2-fluoro-3-(trifluoromethyl)phenyl]methoxy]phenyl]oxetan-3-yl]acetic acid.
What is the SMILES notation for 2-[3-[4-[[2-fluoro-3-(trifluoromethyl)phenyl]methoxy]phenyl]oxetan-3-yl]acetic acid?
The canonical SMILES for 2-[3-[4-[[2-fluoro-3-(trifluoromethyl)phenyl]methoxy]phenyl]oxetan-3-yl]acetic acid is O=C(O)CC1(c2ccc(OCc3cccc(C(F)(F)F)c3F)cc2)COC1.
What is the InChIKey of 2-[3-[4-[[2-fluoro-3-(trifluoromethyl)phenyl]methoxy]phenyl]oxetan-3-yl]acetic acid?
The InChIKey is HNOKMOGUFIEMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4O4/c20-17-12(2-1-3-15(17)19(21,22)23)9-27-14-6-4-13(5-7-14)18(8-16(24)25)10-26-11-18/h1-7H,8-11H2,(H,24,25).
What are the key properties of 2-[3-[4-[[2-fluoro-3-(trifluoromethyl)phenyl]methoxy]phenyl]oxetan-3-yl]acetic acid?
2-[3-[4-[[2-fluoro-3-(trifluoromethyl)phenyl]methoxy]phenyl]oxetan-3-yl]acetic acid has a molecular weight of 384.33 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[[2-fluoro-3-(trifluoromethyl)phenyl]methoxy]phenyl]oxetan-3-yl]acetic acid is sourced from PubChem (CID 71715893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).